2-[5-(4-butoxyphenyl)-1,2,3,4-tetrazol-2-yl]ethanoic acid

Systemtic Name: 2-[5-(4-butoxyphenyl)-1,2,3,4-tetrazol-2-yl]ethanoic acid Openeye Name: 2-[5-(4-butoxyphenyl)tetrazol-2-yl]acetic acid CAS Name: 2-[5-(4-butoxyphenyl)-2-tetrazolyl]acetic acid IUPAC Name: 2-[5-(4-butoxyphenyl)tetrazol-2-yl]acetic acid Traditional Name: 2-[5-(4-butoxyphenyl)tetrazol-2-yl]acetic acid Formula: C13H16N4O3 MolecularWeight: 276.29114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NN(N=N2)CC(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NN(N=N2)CC(=O)O

InChI

InChI=1S/C13H16N4O3/c1-2-3-8-20-11-6-4-10(5-7-11)13-14-16-17(15-13)9-12(18)19/h4-7H,2-3,8-9H2,1H3,(H,18,19)